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Compound Detail

CHEMBL187927

DIANICLINE
🧪 Phase III
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🧪 Phase III
c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187927
Name DIANICLINE
Phase Phase III
Structure Type MOL
InChI Key SUPRUPHAEXPGPF-QWHCGFSZSA-N

Known Names

Dianiclina Dianicline SSR-591813 SSR591813
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
4
Known Names
1
Indications
1
Mechanisms

Molecular Properties

216.3
MW (Da)
1.48
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -nicline

Extended Properties

Molecular Formula C13H16N2O
MW 216.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Neuronal acetylcholine receptor; alpha4/beta2 partial agonist PARTIAL AGONIST Neuronal acetylcholine receptor; alpha4/beta2 ✓ ✓

Indications

Tobacco Use Disorder

Literature References

PubMed DOI Target Context # Activities
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha4/beta2 2
16033252 10.1021/jm040219e Neuronal acetylcholine receptor; alpha3/beta2 1

Data from ChEMBL 36 via Core Engine